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Chemical ID: 6528016
Chemical ID:
6528016
Name [?]:
1-[3,5-bis(trifluoromethyl)phenyl]-3-cyclohexyl-urea
SMILES [?]:
c1c(cc(cc1C(F)(F)F)NC(=O)NC2CCCCC2)C(F)(F)F
InChi [?]:
InChI=1/C15H16F6N2O/c16-14(17,18)9-6-10(15(19,20)21)8-12(7-9)23-13(24)22-11-4-2-1-3-5-11/h6-8,11H,1-5H2,(H2,22,23,24)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,1,3,5,2,6,15,4,12,21,7,22,23,24,8,9,10,14,11,13/E:(2,3)(4,5)(7,8)(9,10)(14,15)(16,17,18,19,20,21)/rA:24nCCCCCCCFFFNCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s2;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16F6N2O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17342 |
Area: | 496.366 |
Solvation: | -3.23574 |
Coulombic: | -71.4487 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.291 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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